UCSF

ZINC14011033

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 35 No

Popular Name: butanoic acid, 4-oxo-4-[[[[4-[(phenylamino)sulfonyl]phenyl]amino]thioxomethyl]amino]-, 2-phenylethyl ester butanoic acid, 4-oxo-4-[[[[4-[(p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 10.63 -32.54 3 8 0 114 511.625 13 ↓
Hi High (pH 8-9.5) 3.34 10.71 -66.88 2 8 -1 116 510.617 13 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.